Name: 4-cyclopropylmethyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octane
SMILES:
C#CCCCCC12OCC(CC3CC3)(CS1)CS2Molecular Processing
Molecular formula
C15H22OS2
Molecular weight
282.47
Exact mass
282.1112
XLogP
4.13
TPSA
9.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.867
Molar refractivity
80.67
Supplementary Information
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